dec-4-en-6-yne

C10H16 — CID 556417

IUPACdec-4-en-6-yne
SMILESCCCC#CC=CCCC
InChIInChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h7,9H,3-6H2,1-2H3
InChIKeyHAMAIVSPUXRZEN-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds3

About dec-4-en-6-yne

dec-4-en-6-yne (PubChem CID 556417) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is dec-4-en-6-yne.

Molecular Properties

Compound Namedec-4-en-6-yne
PubChem CID556417
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Namedec-4-en-6-yne
SMILESCCCC#CC=CCCC
InChIInChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h7,9H,3-6H2,1-2H3
InChIKeyHAMAIVSPUXRZEN-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
CID 44889177
[(E)-non-5-en-3-ynyl]-triphenylphosphanium
CID 11476770
(Z)-oct-2-en-4-yne
CID 5367022
(Z)-heptadec-8-en-6-yne
CID 101260338
(E)-dec-6-en-2,4-diyn-1-ol
CID 102504550
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
hept-3-en-1-ynyl(trimethyl)silane
CID 71438831
deca-2,6-dien-4-ynal
CID 162929085
(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-3-en-5-yne
CID 5367448
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
hex-2-ynethial
CID 56991386

Frequently Asked Questions

What is the IUPAC name of dec-4-en-6-yne?
The IUPAC name of dec-4-en-6-yne (CID 556417) is dec-4-en-6-yne.
What is the SMILES notation for dec-4-en-6-yne?
The canonical SMILES for dec-4-en-6-yne is CCCC#CC=CCCC.
What is the InChIKey of dec-4-en-6-yne?
The InChIKey is HAMAIVSPUXRZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h7,9H,3-6H2,1-2H3.
What are the key properties of dec-4-en-6-yne?
dec-4-en-6-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-4-en-6-yne is sourced from PubChem (CID 556417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).